MOF-5 (sometimes called IRMOF-1) is a metal organic framework (MOF) formed from Zn 4 O nodes with 1,4-benzodicarboxylic acid struts between the nodes. The spheres represent the pore size that can be used for gas storage. There is an IRMOF series based on this MOF.

2019年10月23日 · Isoreticular metal–organic frameworks (IRMOFs) are a series of MOFs that own similar network topology. By simple substitution of organic linkers of IRMOF-1 (i.e., MOF-5), other IRMOFs can be obtained and have unique features such as large BET surface areas and high chemical stability.

All IRMOFs have the expected topology of CaB 6 (13) adapted by the prototype IRMOF-1 (Fig. 1, 1) in which an oxide-centered Zn 4 O tetrahedron is edge-bridged by six carboxylates to give the octahedron-shaped secondary building unit (SBU) that reticulates into a three-dimensional (3D) cubic porous network.

作为一种优秀的多孔材料, IRMOFs改变孔隙率、孔隙体积和表面积的方法很简单。通过取代材料的有机配体, 在相同的拓扑结构下可以有效改变材料的物理化学特性和孔隙率等性质。在气体吸附的研究中, Sajjad F小组 [19] 通Sancheze-Lacombe状态方程计算研究了IRMOF-1、IRMOF ...

2023年1月16日 · In this paper, by introducing two new structures (IRMOF-181 and IRMOF-182), the effects of pore volume and interaction energies on adsorption capacity were studied precisely. In addition, radial distribution functions were calculated to compare the models.

2009年3月9日 · We assess the validity of these approximations with grand canonical Monte Carlo simulations for a well-known Zn-based MOF (IRMOF-1), using potential parameters specifically derived for IRMOF-1. Our approach is validated by comparison with experimental results for hydrogen and xenon adsorption at room temperature.

2018年10月1日 · Molecular simulation including molecular dynamics and grand canonical Monte Carlo are employed to investigate the energy storage of CO 2 /IRMOF-1 (isoreticular metal organic framework) nanoparticle mixture. The results show that the calculated heat capacity by molecular dynamics simulation agrees with experimental data.

2012年10月12日 · Find more information on the Altmetric Attention Score and how the score is calculated. Using Expanded Wang–Landau simulations, we have determined with great accuracy the grand-canonical partition function of CO 2 adsorbed in IRMOF-1, IRMOF-8, and IRMOF-10.

2014年12月12日 · IRMOF-13 exhibits largest hydrogen storage capacity. In this work, the adsorptive behaviors of molecular hydrogen in 10 different isoreticular metal-organic frameworks, namely, IRMOF-1, -2, -3, -6, -8, -10, -11, -13, -18 and -20 have been studied using Sanchez–Lacombe equation of state.

2022年11月1日 · 2D CuBDC and IRMOF-1 membranes are tested for their reverse osmosis performance using molecular dynamics simulation. Pore entrance of both MOFs have a higher affinity towards Cl - than Na + ions. Complete ion rejection is achieved for both MOFs at a thickness near half of their physical values.